3-(3-chloro-4-fluoroanilino)-2H-furan-5-one

C10H7ClFNO2 — CID 90481219

IUPAC3-(3-chloro-4-fluoroanilino)-2H-furan-5-one
SMILESO=C1C=C(Nc2ccc(F)c(Cl)c2)CO1
InChIInChI=1S/C10H7ClFNO2/c11-8-3-6(1-2-9(8)12)13-7-4-10(14)15-5-7/h1-4,13H,5H2
InChIKeyFYYSTDYROFCDBY-UHFFFAOYSA-N
MW227.62 g/mol
LogP2.33
Rot. Bonds2

About 3-(3-chloro-4-fluoroanilino)-2H-furan-5-one

3-(3-chloro-4-fluoroanilino)-2H-furan-5-one (PubChem CID 90481219) has the molecular formula C10H7ClFNO2 and a molecular weight of 227.62 g/mol. Its IUPAC name is 3-(3-chloro-4-fluoroanilino)-2H-furan-5-one.

Molecular Properties

Compound Name3-(3-chloro-4-fluoroanilino)-2H-furan-5-one
PubChem CID90481219
Molecular FormulaC10H7ClFNO2
Molecular Weight227.62 g/mol
Exact Mass227.01
IUPAC Name3-(3-chloro-4-fluoroanilino)-2H-furan-5-one
SMILESO=C1C=C(Nc2ccc(F)c(Cl)c2)CO1
InChIInChI=1S/C10H7ClFNO2/c11-8-3-6(1-2-9(8)12)13-7-4-10(14)15-5-7/h1-4,13H,5H2
InChIKeyFYYSTDYROFCDBY-UHFFFAOYSA-N
XLogP2.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.62
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 43479306
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CID 29067543
N-(3-chloro-4-fluorophenyl)-2,3,4-trifluoroaniline
CID 82536183
3-chloro-4-fluoro-N-(3-fluorophenyl)aniline
CID 82536211
4-(3-chloro-4-fluoroanilino)chromen-2-one
CID 11312308
4-(3-chloro-4-fluoroanilino)-5,7-dimethylchromen-2-one
CID 848622
(2E)-2-[(3-chloro-4-fluoroanilino)methylidene]cyclohexan-1-one
CID 890480
(2Z)-2-[(3-chloro-4-fluoroanilino)methylidene]cyclohexan-1-one
CID 2189267
3-N-(3-chloro-4-fluorophenyl)-2H-1,4-benzoxazine-3,7-diamine
CID 82368442
3-chloro-4-fluoro-N-methylaniline;ethane
CID 142993697
N-(3-chloro-4-fluorophenyl)sulfamoyl chloride
CID 84760554
N-(3-chloro-4-fluorophenyl)-2,6-dimethylaniline
CID 82536210

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluoroanilino)-2H-furan-5-one?
The IUPAC name of 3-(3-chloro-4-fluoroanilino)-2H-furan-5-one (CID 90481219) is 3-(3-chloro-4-fluoroanilino)-2H-furan-5-one.
What is the SMILES notation for 3-(3-chloro-4-fluoroanilino)-2H-furan-5-one?
The canonical SMILES for 3-(3-chloro-4-fluoroanilino)-2H-furan-5-one is O=C1C=C(Nc2ccc(F)c(Cl)c2)CO1.
What is the InChIKey of 3-(3-chloro-4-fluoroanilino)-2H-furan-5-one?
The InChIKey is FYYSTDYROFCDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFNO2/c11-8-3-6(1-2-9(8)12)13-7-4-10(14)15-5-7/h1-4,13H,5H2.
What are the key properties of 3-(3-chloro-4-fluoroanilino)-2H-furan-5-one?
3-(3-chloro-4-fluoroanilino)-2H-furan-5-one has a molecular weight of 227.62 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluoroanilino)-2H-furan-5-one is sourced from PubChem (CID 90481219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).